N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine

C19H17F3N2O2 — CID 56672340

IUPACN-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cccc(-c2nc(CNCc3ccccc3OC(F)(F)F)co2)c1
InChIInChI=1S/C19H17F3N2O2/c1-13-5-4-7-14(9-13)18-24-16(12-25-18)11-23-10-15-6-2-3-8-17(15)26-19(20,21)22/h2-9,12,23H,10-11H2,1H3
InChIKeyTWVAAJAVXSKIOJ-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.84
Rot. Bonds6

About N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine

N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 56672340) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID56672340
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cccc(-c2nc(CNCc3ccccc3OC(F)(F)F)co2)c1
InChIInChI=1S/C19H17F3N2O2/c1-13-5-4-7-14(9-13)18-24-16(12-25-18)11-23-10-15-6-2-3-8-17(15)26-19(20,21)22/h2-9,12,23H,10-11H2,1H3
InChIKeyTWVAAJAVXSKIOJ-UHFFFAOYSA-N
XLogP4.84
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 56661942
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 56675836
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methylphenyl)methanamine
CID 56661858
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 56675613
N-[[2-(4-tert-butylphenyl)-1,3-oxazol-4-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 56682809
1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 78920807
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 65246409
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 56661925
N-[(3-methylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 112722504

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine (CID 56672340) is N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine is Cc1cccc(-c2nc(CNCc3ccccc3OC(F)(F)F)co2)c1.
What is the InChIKey of N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is TWVAAJAVXSKIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-13-5-4-7-14(9-13)18-24-16(12-25-18)11-23-10-15-6-2-3-8-17(15)26-19(20,21)22/h2-9,12,23H,10-11H2,1H3.
What are the key properties of N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine?
N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 362.35 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 56672340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).